6-nitro-2-(phenylsulfanylmethyl)-1H-benzimidazole

Systemtic Name: 6-nitro-2-(phenylsulfanylmethyl)-1H-benzimidazole Openeye Name: 6-nitro-2-(phenylsulfanylmethyl)-1H-benzimidazole CAS Name: 6-nitro-2-[(phenylthio)methyl]-1H-benzimidazole IUPAC Name: 6-nitro-2-(phenylsulfanylmethyl)-1H-benzimidazole Traditional Name: 6-nitro-2-[(phenylthio)methyl]-1H-benzimidazole Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-17(19)10-6-7-12-13(8-10)16-14(15-12)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,15,16)